CID 478031

Chembl2263585

Structural Information

Molecular Formula
C17H21ClN4O
SMILES
C1CCN(CC1)C2=CC(=NC3=C2C=CC(=N3)Cl)N4CCOCC4
InChI
InChI=1S/C17H21ClN4O/c18-15-5-4-13-14(21-6-2-1-3-7-21)12-16(20-17(13)19-15)22-8-10-23-11-9-22/h4-5,12H,1-3,6-11H2
InChIKey
RUDCSVOWBDFYBC-UHFFFAOYSA-N
Compound name
4-(7-chloro-4-piperidin-1-yl-1,8-naphthyridin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.14038 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14766 180.7
[M+Na]+ 355.12960 185.8
[M-H]- 331.13310 184.0
[M+NH4]+ 350.17420 188.2
[M+K]+ 371.10354 180.1
[M+H-H2O]+ 315.13764 167.4
[M+HCOO]- 377.13858 185.1
[M+CH3COO]- 391.15423 187.8
[M+Na-2H]- 353.11505 183.4
[M]+ 332.13983 175.1
[M]- 332.14093 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.